1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(thiophen-3-yl)ethan-1-one
1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S029-0843 |
| Compound Name: | 1-[2-(cyclopentylamino)-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl]-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C23 H28 N4 O S |
| Smiles: | C1CCC(C1)NC1C2(CCN(C2)C(Cc2ccsc2)=O)NCc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3487 |
| logD: | 3.011 |
| logSw: | -3.597 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.952 |
| InChI Key: | SIJANQOOLYOWDL-QHCPKHFHSA-N |